<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>Asoprisnil ecamate</common-name>
  <description nil="true"/>
  <cas>222732-94-7</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C31H40N2O5</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-15T17:15:35Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:31:00Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB20225</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]12CC[C@](COC)(OC)[C@@]1(C)C[C@H](C1=CC=C(\C=N\OC(=O)NCC)C=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H]</moldb-smiles>
  <moldb-formula>C31H40N2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C31H40N2O5/c1-5-32-29(35)38-33-18-20-6-8-21(9-7-20)26-17-30(2)27(14-15-31(30,37-4)19-36-3)25-12-10-22-16-23(34)11-13-24(22)28(25)26/h6-9,16,18,25-27H,5,10-15,17,19H2,1-4H3,(H,32,35)/b33-18+/t25-,26-,27+,30-,31-/m0/s1</moldb-inchi>
  <moldb-inchikey>XMCOWVOJIVSMEO-RCCUTSCYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">520.67</moldb-average-mass>
  <moldb-mono-mass type="decimal">520.293722396</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM136923</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Oxosteroids</subklass>
  <paper-count type="integer">3</paper-count>
  <sync-id>CED0049597</sync-id>
  <structure-inchikey>XMCOWVOJIVSMEO-RCCUTSCYSA-N</structure-inchikey>
  <structure-fingerprint>200040000000000000880000000000000800000000000004008000000020040002208002800020000000000000000000000000000000000100000000000000010040000000000000008000002400000022000001002300040004000000000000000004010100000040000080000000000000020000000080000000200400100000000048400000000000000000000080240000000000000000000000000061000000080004000000000200082000000000000800000000000000000000000000000000000000000000008200000000400000010000000200200202000000000010000008000000000040000000000480000000000004000004000000104002</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&amp;���*���€�� 4��������`�������`������ $�������`������� ������`������� ������`������ $�������`�������`������ 4�������@(������@h�������@h�������@(�������h��������(�������(�������(�������(�������h��������`�������`������@h�������@h��������(�������(�������`�������`�������(�������(�������h��������(�������`�������`������ 4��������������������������������	�	
�	��������h���h���h���$���*�������$��� ��(��� ��������h���h������(����������� (��! !"(�"#�#$�$%�	���h�%��%��"� B�������	������%�	����������!"��#$%��"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:51:45Z</structure-indexed-at>
</compound>
